ethyl 1,1-dimethyl-3-[(phenylmethyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 1,1-dimethyl-3-[(phenylmethyl)carbamoyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(benzylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-[oxo-[(phenylmethyl)amino]methyl]-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(benzylcarbamoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=CC=CC=C32)(C)C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-4-31-23(29)19-15-28(24(30)26-14-17-10-6-5-7-11-17)16-25(2,3)21-18-12-8-9-13-20(18)27-22(19)21/h5-13,15,27H,4,14,16H2,1-3H3,(H,26,30)